SCHEMBL21942181

SCHEMBL21942181

CCc1cc(CO)cc2nc(OC)cnc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2RL3 Q96RI0 4/20 0.40
▸ MAPT P10636 1/20 0.39
▸ DHFR P00374 4/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ CBFB Q13951 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19776314 0.81 F2RL3 (0.41) F2RL3MAPTDHFRMTNR1AMTNR1B
SCHEMBL19776230 0.81 F2RL3 (0.41) F2RL3DHFRMTNR1AMTNR1BPDE5A
SCHEMBL19783346 0.81 F2RL3 (0.42) F2RL3
SCHEMBL19775903 0.80 F2RL3 (0.40) F2RL3DHFRMTNR1AMTNR1BCBFB
SCHEMBL30189960 0.72 F2RL3 (0.44) F2RL3
SCHEMBL21395742 0.71 F2RL3 (0.50) F2RL3
SCHEMBL30187604 0.71 F2RL3 (0.50) F2RL3
SCHEMBL19783412 0.68 F2RL3 (0.61) F2RL3MAPT
SCHEMBL23462962 0.68 F2RL3 (0.55) F2RL3
SCHEMBL2547333 0.66 ALDH1A1 (0.47) MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484881-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-29 — — EP disclosed
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